NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 99 G 4.5004 8.3393 109.7357 45.6337 0.0000 175.4881 100 S 3.9010 8.4040 128.1702 56.8166 62.1812 174.2257 *102 L 4.2732 7.7072 123.7380 56.4378 43.5779 176.3647 103 I 4.7118 8.4766 121.2398 58.8781 41.1504 174.2417 104 K 5.1708 8.4825 119.2090 55.6965 36.3331 175.5749 105 V 4.8056 9.1711 116.2316 59.6090 34.3977 174.4186 106 K 4.8816 9.2359 128.0784 55.2978 33.9115 176.0371 107 T 4.7970 8.4550 117.7243 59.7565 71.2883 175.3245 108 L 3.8258 8.7445 123.2549 58.7523 41.7787 178.1465 109 T 3.9267 7.7556 110.0229 63.3335 67.4217 174.7094 110 G 3.9297 8.6453 109.7104 44.9845 0.0000 173.4849 111 K 3.9512 7.9381 121.7307 57.0528 32.9627 175.3500 112 E 5.0104 8.7551 127.0718 55.3998 31.3033 175.7039 113 I 4.5776 8.5803 123.5684 59.5035 40.7336 174.0359 114 E 4.9766 8.8085 127.4212 55.0564 31.1449 175.0902 115 I 4.7291 9.1920 126.4411 59.7546 41.9295 173.6850 116 D 5.1592 8.7280 125.9434 52.9036 42.1546 175.8279 117 I 4.6070 8.1291 115.6872 59.8076 40.9772 173.3878 118 E 4.7765 8.5789 118.7490 53.6090 32.1854 175.8625 119 P 4.2745 0.0000 0.0000 65.1110 31.3405 177.5313 120 T 4.3683 7.5842 107.4921 61.5124 69.9257 174.4820 121 D 4.3968 8.3047 124.0420 54.4133 42.0201 175.5589 122 K 4.8144 8.3300 124.7457 55.7230 33.6196 178.4026 123 V 3.6872 9.0027 115.4149 64.5045 29.9343 178.5253 124 E 3.8887 8.1671 118.8324 59.1056 29.2187 178.5341 125 R 4.2790 7.9571 118.0237 58.1965 30.2371 178.4415 126 I 3.7215 7.5081 119.5680 64.3055 37.0352 178.1255 127 K 4.3167 7.9940 119.5368 58.5418 32.0269 178.8011 128 E 4.0813 7.5185 117.5627 59.3549 29.8834 178.8955 129 R 4.0853 8.3025 118.1492 58.9071 29.9400 179.2290 130 V 3.6813 8.1701 119.0029 65.7358 31.3899 177.6156 131 E 4.5621 8.5813 120.6512 58.3010 29.2370 178.2678 132 E 4.0631 8.1215 116.2867 58.3576 30.0534 178.1423 133 K 4.2910 7.3591 117.7975 56.6833 33.3289 176.4566 134 E 4.7857 7.9718 117.3878 54.0456 33.0911 176.8013 135 G 3.7943 8.6054 108.8582 46.9255 0.0000 174.0630 136 I 3.7273 7.5583 121.6410 60.8704 37.5261 173.9805 137 P 4.7614 0.0000 0.0000 60.7409 32.3728 175.4442 138 P 4.2070 0.0000 0.0000 65.8647 31.4689 178.4836 139 Q 4.0115 8.1228 114.5361 58.8567 28.6643 177.0049 140 Q 4.4171 8.4314 116.1954 55.6630 29.0894 174.2337 141 Q 4.9156 7.9586 118.8349 54.3310 31.1990 174.9010 142 R 4.6701 8.2993 121.5944 54.4778 33.5306 174.1506 143 L 5.0345 8.5038 124.0895 53.3317 44.2765 175.6446 144 I 4.7885 8.9422 124.0686 59.7079 40.5025 173.7261 145 Y 4.8345 8.3303 128.9088 55.7855 40.7901 175.7420 146 S 3.3235 8.6067 124.0663 59.7830 59.9497 173.7853 147 G 3.9251 7.9667 105.2843 45.9832 0.0000 173.6039 148 K 4.6074 7.5358 119.6342 54.7809 34.5326 176.2199 149 Q 4.8428 8.0924 126.0542 55.0813 28.5970 174.7943 *151 N 4.5489 8.4852 119.8655 54.3707 40.4431 174.9197 152 D 4.5004 8.8500 125.4007 57.9789 41.1059 180.3254 153 E 4.6266 8.2531 117.8474 56.1840 28.9900 176.6780 154 K 4.6771 7.8067 115.4351 55.2626 36.9004 175.8567 155 T 4.9976 8.2488 116.1931 61.5730 70.9142 176.1173 156 A 4.0461 8.4473 125.7542 55.2563 18.6261 180.1986 157 A 4.0023 7.7947 118.1500 55.4375 18.7117 178.7016 158 D 4.3758 7.8226 114.8990 57.5613 40.9275 177.1362 159 Y 4.5366 7.5304 114.9651 61.8446 38.4450 175.9482 160 K 4.0984 7.8449 114.2427 57.5563 29.8591 175.4458 161 I 3.7248 7.5163 121.7421 60.9433 39.5596 178.6384 *163 G 3.9663 8.6675 111.8161 45.8689 0.0000 173.8902 164 G 3.9588 9.2888 107.5818 45.3278 0.0000 173.4635 165 S 4.1334 8.0322 114.3902 58.9612 63.1658 173.2244 166 V 4.5783 8.6149 126.7018 61.8870 32.6424 174.6678 167 L 4.9372 9.3475 128.3165 53.4649 44.5369 175.0404 168 H 4.9902 8.9777 120.5879 54.4936 30.5027 174.1588 169 L 4.8028 8.9561 127.6795 53.9299 42.0414 175.4578 170 V 4.2551 8.5013 127.3829 60.7296 32.7814 175.2303 171 L 5.2364 8.8721 127.6133 54.4880 42.3488 176.9386 172 A 4.3235 8.3476 122.1472 51.6952 19.2998 178.1074 173 L 4.0385 8.5944 120.5975 58.2675 41.9819 179.5078 174 R 4.3804 8.0350 113.3292 56.5295 29.7485 177.4139 175 G 3.8852 7.3145 109.4116 43.6872 0.0000 173.9603 176 G 4.1720 8.3042 113.0285 46.2389 0.0000 171.2241 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 99 G 8.34 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.40 3.90 0.00 4.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 L 7.71 4.27 0.00 1.68 1.71 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.48 4.71 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.91 0.00 0.00 104 K 8.48 5.17 0.00 1.80 1.87 0.00 1.26 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 105 V 9.17 4.81 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 106 K 9.24 4.88 0.00 1.64 1.45 0.00 1.49 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.51 7.81 107 T 8.45 4.80 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 108 L 8.74 3.83 0.00 1.61 1.78 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.76 3.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 110 G 8.65 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.94 3.95 0.00 1.85 1.72 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 112 E 8.76 5.01 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 113 I 8.58 4.58 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.12 0.90 0.00 0.00 114 E 8.81 4.98 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 115 I 9.19 4.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.90 0.00 0.00 116 D 8.73 5.16 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.13 4.61 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.90 0.00 0.00 118 E 8.58 4.78 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 119 P 0.00 4.27 0.00 2.20 2.30 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 120 T 7.58 4.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 121 D 8.30 4.40 0.00 2.94 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.33 4.81 0.00 1.87 1.94 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.45 7.81 123 V 9.00 3.69 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.06 0.00 0.00 124 E 8.17 3.89 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 125 R 7.96 4.28 0.00 1.94 2.13 0.00 3.15 0.00 0.00 3.56 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 126 I 7.51 3.72 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.74 0.90 0.00 0.00 127 K 7.99 4.32 0.00 1.72 1.89 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 128 E 7.52 4.08 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 129 R 8.30 4.09 0.00 1.86 1.97 0.00 3.17 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 130 V 8.17 3.68 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 131 E 8.58 4.56 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 132 E 8.12 4.06 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 133 K 7.36 4.29 0.00 2.10 1.89 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.46 7.81 134 E 7.97 4.79 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 135 G 8.61 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.56 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.91 0.00 0.00 137 P 0.00 4.76 0.00 2.18 1.96 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 138 P 0.00 4.21 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 139 Q 8.12 4.01 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.14 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 140 Q 8.43 4.42 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 141 Q 7.96 4.92 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 142 R 8.30 4.67 0.00 2.13 1.78 0.00 3.10 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 143 L 8.50 5.03 0.00 1.54 1.54 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.94 4.79 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.86 0.00 0.00 145 Y 8.33 4.83 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.61 3.32 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.54 4.61 0.00 1.97 1.76 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.59 7.81 149 Q 8.09 4.84 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 *151 N 8.49 4.55 0.00 2.88 2.88 0.00 0.00 6.92 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.85 4.50 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.25 4.63 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 154 K 7.81 4.68 0.00 2.05 1.53 0.00 1.62 0.00 0.00 1.39 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.40 7.81 155 T 8.25 5.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 156 A 8.45 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.79 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 7.82 4.38 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 7.53 4.54 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.84 4.10 0.00 1.96 2.17 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.45 7.81 161 I 7.52 3.72 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.35 0.73 0.00 0.00 *163 G 8.67 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 9.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.03 4.13 0.00 3.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.61 4.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 167 L 9.35 4.94 0.00 1.58 1.55 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.98 4.99 0.00 3.38 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.96 4.80 0.00 1.58 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.50 4.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 171 L 8.87 5.24 0.00 1.57 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.35 4.32 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.59 4.04 0.00 1.72 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.03 4.38 0.00 1.80 1.95 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 175 G 7.31 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.30 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.